1-ethyl-N-[(4-hexadecoxy-2-methyl-phenyl)methyl]pyridin-1-ium-3-carboxamide iodide

Systemtic Name: 1-ethyl-N-[(4-hexadecoxy-2-methyl-phenyl)methyl]pyridin-1-ium-3-carboxamide iodide Openeye Name: 1-ethyl-N-[(4-hexadecoxy-2-methyl-phenyl)methyl]pyridin-1-ium-3-carboxamide iodide CAS Name: 1-ethyl-N-[(4-hexadecoxy-2-methylphenyl)methyl]-3-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-ethyl-N-[(4-hexadecoxy-2-methylphenyl)methyl]pyridin-1-ium-3-carboxamide iodide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-1-ethyl-pyridin-1-ium-3-carboxamide iodide Formula: C32H51IN2O2 MolecularWeight: 622.66401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC)C.[I-]

InChI

InChI=1S/C32H50N2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-24-36-31-22-21-29(28(3)25-31)26-33-32(35)30-20-19-23-34(5-2)27-30;/h19-23,25,27H,4-18,24,26H2,1-3H3;1H